NMR chemical shielding and spin-spin coupling constants of liquid NH3: a systematic investigation using the sequential QM/MM method.

Gester, Rodrigo M

NMR chemical shielding and spin-spin coupling constants of liquid NH3: a systematic investigation using the sequential QM/MM method. [electronic resource] - The journal of physical chemistry. A Dec 2009 - 14936-42 p. digital

Publication Type: Journal Article; Research Support, Non-U.S. Gov't

1520-5215

10.1021/jp9050484 doi


Ammonia--chemistry
Magnetic Resonance Spectroscopy
Monte Carlo Method
Quantum Theory
Solutions
Static Electricity